Chapter 15. Relativistic Calculations of Spin–Spin Coupling Constants of Heavy Nuclei

  1. Prof. Dr. Martin Kaupp3,
  2. Dr. Michael Bühl Priv. Doz.4 and
  3. Dr. Vladimir G. Malkin DrSc.5
  1. Jochen Autschbach1 and
  2. Tom Ziegler2

Published Online: 9 JUN 2004

DOI: 10.1002/3527601678.ch15

Calculation of NMR and EPR Parameters: Theory and Applications

Calculation of NMR and EPR Parameters: Theory and Applications

How to Cite

Autschbach, J. and Ziegler, T. (2004) Relativistic Calculations of Spin–Spin Coupling Constants of Heavy Nuclei, in Calculation of NMR and EPR Parameters: Theory and Applications (eds M. Kaupp, M. Bühl and V. G. Malkin), Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, FRG. doi: 10.1002/3527601678.ch15

Editor Information

  1. 3

    Institute of Inorganic Chemistry, University of Würzburg, Am Hubland, 97074 Würzburg, Germany

  2. 4

    Max-Planck-Institute for Coal Research, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr, Germany

  3. 5

    Institute of Inorganic Chemistry, Slovak Academy of Sciences, Dubravska cesta 9, SK-84536 Bratislava, Slovak Republic

Author Information

  1. 1

    Department of Chemistry, University of Buffalo, State University of New York, 312 Natural Sciences Complex, Buffalo, NY 14260-3000, USA

  2. 2

    Department of Chemistry, University of Calgary, Calgary, Alberta T2N-1N4, Canada

Publication History

  1. Published Online: 9 JUN 2004
  2. Published Print: 25 MAY 2004

ISBN Information

Print ISBN: 9783527307791

Online ISBN: 9783527601677

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Keywords:

  • spin–spin coupling constants;
  • heavy nuclei;
  • relativistic calculations

Summary

This chapter contains sections titled:

  • Introduction

  • Methodological Aspects

  • Computational Results

  • Summary